4-[2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzonitrile CAS Name: 4-[2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]ethoxy]benzonitrile IUPAC Name: 4-[2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzonitrile Traditional Name: 4-[2-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]ethoxy]benzonitrile Formula: C24H22N4OS2 MolecularWeight: 446.58768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCCOC3=CC=C(C=C3)C#N)CC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCCOC3=CC=C(C=C3)C#N)CC4=CC=CS4

InChI

InChI=1S/C24H22N4OS2/c25-18-20-8-10-21(11-9-20)29-14-16-31-24-27-26-23(17-22-7-4-15-30-22)28(24)13-12-19-5-2-1-3-6-19/h1-11,15H,12-14,16-17H2